sodium 3-benzamido-4-[(2-benzamidophenyl)diazenyl]benzenesulfonate

Systemtic Name: sodium 3-benzamido-4-[(2-benzamidophenyl)diazenyl]benzenesulfonate Openeye Name: sodium 3-benzamido-4-(2-benzamidophenyl)azo-benzenesulfonate CAS Name: sodium 3-benzamido-4-(2-benzamidophenyl)azobenzenesulfonate IUPAC Name: sodium 3-benzamido-4-[(2-benzamidophenyl)diazenyl]benzenesulfonate Traditional Name: sodium 3-benzamido-4-(2-benzamidophenyl)azo-besylate Formula: C26H19N4NaO5S MolecularWeight: 522.50763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N=NC3=C(C=C(C=C3)S(=O)(=O)[O-])NC(=O)C4=CC=CC=C4.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2N=NC3=C(C=C(C=C3)S(=O)(=O)[O-])NC(=O)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C26H20N4O5S.Na/c31-25(18-9-3-1-4-10-18)27-21-13-7-8-14-22(21)29-30-23-16-15-20(36(33,34)35)17-24(23)28-26(32)19-11-5-2-6-12-19;/h1-17H,(H,27,31)(H,28,32)(H,33,34,35);/q;+1/p-1